(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-2,2-dimethyl-3-oxidanyl-N'-phenethyl-3,4-dihydrochromene-6-carboximidamide

Systemtic Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-2,2-dimethyl-3-oxidanyl-N'-phenethyl-3,4-dihydrochromene-6-carboximidamide Openeye Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N'-phenethyl-chromane-6-carboxamidine CAS Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N'-phenethyl-3,4-dihydro-2H-1-benzopyran-6-carboximidamide IUPAC Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N'-phenethyl-3,4-dihydrochromene-6-carboximidamide Traditional Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N'-phenethyl-chroman-6-carboxamidine Formula: C28H33N3O4S MolecularWeight: 507.64432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=NCCC4=CC=CC=C4)N)(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C(=NCCC4=CC=CC=C4)N)(C)C)O

InChI

InChI=1S/C28H33N3O4S/c1-4-19-10-13-22(14-11-19)36(33,34)31-25-23-18-21(12-15-24(23)35-28(2,3)26(25)32)27(29)30-17-16-20-8-6-5-7-9-20/h5-15,18,25-26,31-32H,4,16-17H2,1-3H3,(H2,29,30)/t25-,26+/m1/s1